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638-32-4

丁酰胺酸(638-32-4)红外图谱(IR1)

产品名称:丁酰胺酸

CAS:638-32-4

分子式:C4H7NO3

分子量: 117.1

InChI:InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)

InChIKey: JDVPQXZIJDEHAN-UHFFFAOYSA-N

Smiles:C(O)(=O)CCC(N)=O

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    Mass

    MS-NW-6917          
    succinamic acid
    C4H7NO3             (Mass of molecular ion:    117)
    

       Source Temperature: 200 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          16.0       1.5
          17.0       1.3
          18.0       1.4
          25.0       1.0
          26.0       8.0
          27.0      17.7
          28.0      19.8
          29.0      10.1
          30.0       4.2
          31.0       1.5
          41.0       1.6
          42.0       4.8
          43.0       4.8
          44.0      52.6
          45.0      21.2
          46.0       2.6
          47.0       1.1
          51.0       1.0
          52.0       1.8
          53.0       2.8
          54.0       5.1
          55.0      39.2
          56.0      16.2
          57.0       2.2
          71.0       2.7
          72.0       9.9
          73.0      41.3
          74.0     100.0
          75.0       3.6
          82.0       1.6
          99.0      18.3
         100.0       8.4
         101.0      21.0
         102.0       1.1
         117.0      11.8
         118.0       1.0
    

90 MHz in D2O

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    1H NMR 89.56 MHz
    C4 H7 N O3 saturated in D2O
    succinamic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 2.63 B *1 2.59 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        248.13   2.771     43
        245.94   2.747     37
        243.00   2.714     86
        240.75   2.689     31
        238.56   2.664     92
        237.44   2.652    428
        236.75   2.644    495
        235.56   2.631    240
        233.88   2.612    987
        233.13   2.604   1000
        231.50   2.585    262
        230.31   2.572    485
        229.63   2.564    339
        228.44   2.551    112
        224.06   2.502     91
        221.13   2.470     35
        218.94   2.445     42
    

KBr disc

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nujol mull

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